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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H29FN6O2
Molecular Weight 524.5887
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GEMNELATINIB

SMILES

C[C@@H](N1C=C(C=C(F)C1=O)C2=CC(=CC=N2)C#N)C3=CC(=CC=C3)C4=NC=C(OCC5CCN(C)CC5)C=N4

InChI

InChIKey=UDDRTVZAZBIBBN-HXUWFJFHSA-N
InChI=1S/C30H29FN6O2/c1-20(37-18-25(14-27(31)30(37)38)28-12-22(15-32)6-9-33-28)23-4-3-5-24(13-23)29-34-16-26(17-35-29)39-19-21-7-10-36(2)11-8-21/h3-6,9,12-14,16-18,20-21H,7-8,10-11,19H2,1-2H3/t20-/m1/s1

HIDE SMILES / InChI

Molecular Formula C30H29FN6O2
Molecular Weight 524.5887
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
EFL78M2T2C
Record Status Validated (UNII)
Record Version